(2R)-N-(1-adamantyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[4-(4-cyanobenzyl)piperazino]propionamide Formula: C25H34N4O MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H34N4O/c1-18(24(30)27-25-13-21-10-22(14-25)12-23(11-21)15-25)29-8-6-28(7-9-29)17-20-4-2-19(16-26)3-5-20/h2-5,18,21-23H,6-15,17H2,1H3,(H,27,30)/t18-,21?,22?,23?,25?/m1/s1